ChemDB: Chemical Search
Download
Chemical ID: 6420374
Chemical ID:
6420374
Name [?]:
None
SMILES [?]:
CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CO)C
InChi [?]:
InChI=1/C22H34O5/c1-6-20(4)11-16(27-17(25)12-23)21(5)13(2)7-9-22(14(3)19(20)26)10-8-15(24)18(21)22/h6,13-14,16,18-19,23,26H,1,7-12H2,2-5H3
InChi Info:
AuxInfo=1/0/N:21,1,17,19,27,20,3,7,4,6,13,25,2,16,8,12,23,10,15,14,11,5,26,9,24,18,22/rA:27cCCCCCCCCOCCCCCCCCOCCCOCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s5s8;s2s10;s11;s12;s13;s14;s5s15;s16;s15;s14;s14;d20;s12;s22;d23;s23;s25;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H34O5 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 8 |
ZAP Information [?]
Total: | 7.65378 |
Area: | 505.871 |
Solvation: | -4.99299 |
Coulombic: | -62.0387 |
Bond Count [?]
All: | 29 |
Single: | 26 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 378.502 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.7 |
LogP (Chemaxon): | 3.62 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|